Dataset

Piperine

This MassBank record with Accession MSBNK-RIKEN-PR301804 contains the MS2 mass spectrum of Piperine with the InChIkey MXXWOMGUGJBKIW-YPCIICBESA-N.

InChI	InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
SMILES	O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1
InChI Key	MXXWOMGUGJBKIW-YPCIICBESA-N
Molecular Formula	C17H19NO3
Exact Mass	285.343 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301804
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:32:42.869995
MetadataModified	2025-02-09T18:27:49.398820
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
28821	ChEBI
PIPERINE	clinicaltrials
HY-N0144	MedChemExpress
2489	Guide to Pharmacology
ZINC000001529772	ZINC
PIPINE	CCDC
J50.666D	Nikkaji
DTXSID3021805	EPA CompTox Dashboard
LSM-42991	LINCS
AYR	PDBe
PIPERINE	rxnorm
J4.701E	Nikkaji
50148573	BindingDB
PIPERINE	DailyMed
CHEMBL43185	ChEMBL
C03882	KEGG Ligand
638024	PubChem
PD001540	ProbesDrugs
U71XL721QK	FDA SRS
SCHEMBL94058	SureChEMBL
14775491	PubChem: Thomson Pharma
94-62-2	ACToR
7780-20-3	ACToR
Piperine(1-Piperoylpiperidine)	Selleck
147030-08-8	ACToR
531025	eMolecules
20806	Brenda
HMDB0029377	Human Metabolome Database
28821	Rhea
CB1249813	ChemicalBook
CB61323379	ChemicalBook
piperine	DailyMed
MTBLC28821	Metabolights
DB12582	DrugBank
45695	Brenda
10016311	NMRShiftDB
MCULE-2161604269	Mcule
The data in this table is sourced from UniChem at EBI.